methyl 5-ethyl-6-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)pyridine-3-carboxylate

C16H16N4O2 — CID 167583338

IUPACmethyl 5-ethyl-6-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)pyridine-3-carboxylate
SMILESCCc1cc(C(=O)OC)cnc1-c1nc2cc(C)ccn2n1
InChIInChI=1S/C16H16N4O2/c1-4-11-8-12(16(21)22-3)9-17-14(11)15-18-13-7-10(2)5-6-20(13)19-15/h5-9H,4H2,1-3H3
InChIKeyDXQLWVCHESOCAF-UHFFFAOYSA-N
MW296.33 g/mol
LogP2.45
Rot. Bonds3

About methyl 5-ethyl-6-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)pyridine-3-carboxylate

methyl 5-ethyl-6-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)pyridine-3-carboxylate (PubChem CID 167583338) has the molecular formula C16H16N4O2 and a molecular weight of 296.33 g/mol. Its IUPAC name is methyl 5-ethyl-6-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-ethyl-6-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)pyridine-3-carboxylate
PubChem CID167583338
Molecular FormulaC16H16N4O2
Molecular Weight296.33 g/mol
Exact Mass296.13
IUPAC Namemethyl 5-ethyl-6-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)pyridine-3-carboxylate
SMILESCCc1cc(C(=O)OC)cnc1-c1nc2cc(C)ccn2n1
InChIInChI=1S/C16H16N4O2/c1-4-11-8-12(16(21)22-3)9-17-14(11)15-18-13-7-10(2)5-6-20(13)19-15/h5-9H,4H2,1-3H3
InChIKeyDXQLWVCHESOCAF-UHFFFAOYSA-N
XLogP2.45
TPSA69.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze methyl 5-ethyl-6-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)pyridine-3-carboxylate with MolForge

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Related Compounds

methyl 7-methyl-[1,2,4]triazolo[1,5-a]pyridine-2-carboxylate
CID 116989721
methyl 2-(5-methylthiophen-2-yl)-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylate
CID 117134868
methyl 2-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridine-6-carboxylate
CID 117130742
2-(4-ethyl-5-fluoro-3-pyridinyl)-7-methyl-[1,2,4]triazolo[1,5-a]pyridine
CID 90330851
ethyl 2-amino-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylate
CID 121232268
2-(2-methoxyphenyl)-7-methyl-[1,2,4]triazolo[1,5-a]pyridine
CID 16751701
methyl 2-propan-2-yl-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylate
CID 117135307
methyl 2-(5-bromo-2-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylate
CID 82567133
methyl 2-(5-chlorofuran-2-yl)-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylate
CID 117134866
methyl 2-(2,2-dimethylpropyl)-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylate
CID 117135296
2-O-ethyl 5-O-methyl pyridine-2,5-dicarboxylate
CID 152564133
4-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)aniline
CID 82566323

Frequently Asked Questions

What is the IUPAC name of methyl 5-ethyl-6-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)pyridine-3-carboxylate?
The IUPAC name of methyl 5-ethyl-6-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)pyridine-3-carboxylate (CID 167583338) is methyl 5-ethyl-6-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)pyridine-3-carboxylate.
What is the SMILES notation for methyl 5-ethyl-6-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)pyridine-3-carboxylate?
The canonical SMILES for methyl 5-ethyl-6-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)pyridine-3-carboxylate is CCc1cc(C(=O)OC)cnc1-c1nc2cc(C)ccn2n1.
What is the InChIKey of methyl 5-ethyl-6-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)pyridine-3-carboxylate?
The InChIKey is DXQLWVCHESOCAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O2/c1-4-11-8-12(16(21)22-3)9-17-14(11)15-18-13-7-10(2)5-6-20(13)19-15/h5-9H,4H2,1-3H3.
What are the key properties of methyl 5-ethyl-6-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)pyridine-3-carboxylate?
methyl 5-ethyl-6-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)pyridine-3-carboxylate has a molecular weight of 296.33 g/mol, XLogP of 2.45, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-ethyl-6-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)pyridine-3-carboxylate is sourced from PubChem (CID 167583338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).